First‐Principles Calculation, Synthesis, and Catalytic Properties of Rh‐Cu Alloy Nanoparticles

The first synthesis of pure Rh1−xCux solid‐solution nanoparticles is reported. In contrast to the bulk state, the solid‐solution phase was stable up to 750 °C. Based on facile density‐functional calculations, we made a prediction that the catalytic activity of Rh1−xCux can be maintained even with 50 at % replacement of Rh with Cu. The prediction was confirmed for the catalytic activities on CO and NOx conversions.